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Compound Detail

CHEMBL1761306

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N#CCn1cc(C2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21

Basic Information

ChEMBL ID CHEMBL1761306
Phase Preclinical
Structure Type MOL
InChI Key UGDFHKDERAZDTE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
5.62
ALogP
7
HBA
0
HBD
70.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N6S
MW 450.57
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 8.05 8.05 9.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.08 7.08 83.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21392988 10.1016/j.bmcl.2011.02.052 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine